Chemical ID: 6847120

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OCC(=O)Nc4ccccc4C(=O)OC)C
Chemical ID:
6847120
Name [?]:
methyl 2-[2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxyacetyl]aminobenzoate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OCC(=O)Nc4ccccc4C(=O)OC)C
InChi [?]:
InChI=1/C29H27NO8/c1-16-12-17(2)26-20(13-16)25(32)28(27(38-26)18-10-11-22(34-3)23(14-18)35-4)37-15-24(31)30-21-9-7-6-8-19(21)29(33)36-5/h6-14H,15H2,1-5H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,38,22,20,37,31,30,32,29,14,15,3,7,18,24,2,4,13,33,6,28,16,17,25,8,5,11,10,34,27,26,9,35,21,19,36,23,12/rA:38nCCCCCCCCOCCOCCCCCCOCOCOCCONCCCCCCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;s24;d25;s25;s27;s28;d29;s30;d31;d28s32;s33;d34;s34;s36;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H27NO8
All Atoms:65
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:10.4055
Area:756.332
Solvation:-8.5028
Coulombic:-80.2386
Bond Count [?]
All:41
Single:28
Double:13
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:517.527
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:5.2
LogP (Chemaxon):5.07

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue